Grundinformationen
- Standard-SMILES
OC1C=CCCC1- InChIKey
PQANGXXSEABURG-UHFFFAOYSA-N- Summenformel
- C6H10O
- Durchschnittliche Molmasse
- 98,14 g/mol
- Monoisotopische Masse
- 98,07316494
Namen und Bezeichner
- Bevorzugter Name
- 2-Cyclohexen-1-OL
- IUPAC
- cyclohex-2-en-1-ol
- Lokaler Name
- Cyclohex-2-en-1-ol
- Englischer Name
- 2-CYCLOHEXEN-1-OL
- Summenformel
- C6H10O
- Molmasse
- 98.14
Namen und Synonyme
2-CYCLOHEXEN-1-OL822-67-3cyclohex-2-enolcyclohex-2-en-1-ol2-Cyclohexenol2-Cyclohexene-1-ol3-Hydroxycyclohexene1-Cyclohexen-3-olCyclohexen-3-olMFCD00001570Cyclohex-2-ene-1-olCHEMBL4787259
Weitere Namen anzeigen
Cyclohexenol2-CYCLOHEXEN-1-O1
1,2,3,4-TetrahydrophenolCyclohexen-3-ol (VAN)NSC64656EINECS 212-501-3NSC 646562-aCyclohexen-a1-aolrac-2-cyclohexen-1-olracemic cyclohex-2-enol
Datenbank-Bezeichner
- CAS
822-67-3- PubChem CID
- 13198
- DTXSID
DTXSID00870780- ChEMBL
CHEMBL4787259- EC Number
- 212-501-3
- Nikkaji
- J79.969F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 76,2
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionClear colorless liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 107 · 107-108℃
- Siedepunkt
- 164 · 164-166 °C(lit.)
- Dichte
- 1 g/mL · 1 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.487(lit.)
- Flammpunkt
- 137 °F · 137 °F
- storage temp.
- Refrigerator, under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.7 · 14.70±0.20(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- BRN
- 1446187 · 1446187
- InChI
- InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
- InChIKey
- PQANGXXSEABURG-UHFFFAOYSA-N
- SMILES
- C1(O)CCCC=C1
- CAS Datenbank
- 822 · 822-67-3(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Cyclohexen-1-ol (822-67-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information2-Cyclohexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Aldrich MSDS] See Cyclohexanol. See Cyclohexene.
Peroxide Forming Chemical
2-Cyclohexen-1-ol
B: Compounds that form peroxides on concentration (distillation/evaporation)
1 samples had 30 ppm peroxide; age >1 yrs
Clark
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29061990
- risk_code
- 36/37/38
- safety_code
- 23-24/25
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
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